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DocumentationIdentifier: MM248514
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM248514 |
| SMILES |
C=C(CC)OC(C)=C(F)F
|
| InChIKey |
QMRKFBXMHHKWFL-UHFFFAOYSA-N
|
| MW [Da] |
148.15
Automatically obtained from RDkit software. |
| LogP |
3.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7232 |
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| Cosine metric | 0.8504 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.66 |
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Total active interactions
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MM334827
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| Tanimoto metric | 0.6984 |
|---|---|
| Cosine metric | 0.8233 |
| Dice metric | 0.8224 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+403 more
